V010-6955 Screening compound: N,N-diethyl-2-{[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

V010-6955 Screening compound: N,N-diethyl-2-{[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
V010-6955 Screening compound: N,N-diethyl-2-{[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-6955
N,N-diethyl-2-{[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V010-6955

Molecular Formula

C21H23FN4OS (C21 H23 FN4 OS)

Compound Name

N,N-diethyl-2-{[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

NN-diethyl-2-{[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CCN(CC)C(CSc1nnc(-c(cc2)ccc2F)n1-c1ccc(C)cc1)=O

InChI

InChI=1S/C21H23FN4OS/c1-4-25(5-2)19(27)14-28-21-24-23-20(16-8-10-17(22)11-9-16)26(21)18-12-6-15(3)7-13-18/h6-13H,4-5,14H2,1-3H3

InChI Key

NWJDTDJVEJLWAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843875

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.21

Polar Surface Area

40.389

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V010-6955 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V010-6955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-6955?
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What is the minimum amount of V010-6955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-6955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-6955
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V010-6955 available by request